Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01413469
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
617![]() | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | A | 2QE5 | 0.75 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.73 | ![]() |
F79![]() | 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4- FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID | A | 2EA4 | 0.73 | ![]() |
MBQ![]() | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | A | 1SIH | 0.73 | ![]() |
DPA![]() | A,B | 1PIK | 0.7 | ![]() | |
GWI![]() | N-({4-[({4-chloro-2-[(3-chloro- 5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]- 3-methylphenyl}sulfonyl)propanamide | A | 3DOL | 0.78 | ![]() |
MUT![]() | (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)- 1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL]- 2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE | A,B | 2I0D | 0.85 | ![]() |
GWJ![]() | 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}- N-(2-methyl-4-sulfamoylphenyl)acetamide | A | 3DOK | 0.78 | ![]() |
32P![]() | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.72 | ![]() |
4B3![]() | 4-BROMO-3-(CARBOXYMETHOXY)-5-{3- [(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE- 2-CARBOXYLIC ACID | A | 2QBQ | 0.71 | ![]() |
5CN![]() | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I1M | 0.72 | ![]() |
5CN![]() | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I0Y | 0.72 | ![]() |
4BO![]() | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.71 | ![]() |
IC1![]() | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.75 | ![]() |
033![]() | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.8 | ![]() |
FUN![]() | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2- FURYLMETHYL)AMINO]BENZOIC ACID | A | 1Z9Y | 0.76 | ![]() |
024![]() | 4-BROMO-3-(CARBOXYMETHOXY)-5-[3- (CYCLOHEXYLAMINO)PHENYL]THIOPHENE- 2-CARBOXYLIC ACID | A | 2QBS | 0.72 | ![]() |
712![]() | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA- METHYL-D-PHENYLALANINATE | A | 2PH6 | 0.74 | ![]() |
VG4![]() | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(2-oxo-2,3-dihydro- 1H-pyrrol-1-yl)-5-propoxybenzamide | A | 2VIZ | 0.71 | ![]() |
910![]() | 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO- 3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID | A | 2QBR | 0.72 | ![]() |
MZ3![]() | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(3-METHOXYPHENYL)SULFONYL](2- THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO- 2-METHYLBENZAMIDE | A,B | 2QI0 | 0.71 | ![]() |
CNO![]() | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL- ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)- METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID | A,B,C,D | 1K0Y | 0.73 | ![]() |
393![]() | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDU | 0.7 | ![]() |
393![]() | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDC | 0.7 | ![]() |
393![]() | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDP | 0.7 | ![]() |
393![]() | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PZN | 0.7 | ![]() |
393![]() | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDJ | 0.7 | ![]() |
393![]() | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2IKJ | 0.7 | ![]() |
4BQ![]() | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.73 | ![]() |
I03![]() | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3- ({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | A | 2IS0 | 0.72 | ![]() |
AXA![]() | (5S)-5-(2-amino-2-oxoethyl)-4-oxo- N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin- 6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3- d]pyrimidine-2-carboxamide | A,B | 3DNG | 0.7 | ![]() |
T1D![]() | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.77 | ![]() |
MZ9![]() | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(4-METHOXYPHENYL)SULFONYL][(2S)- 2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE | A,B | 2QI7 | 0.71 | ![]() |
527![]() | 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN- 4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE- 2-CARBOXYLIC ACID | A | 2QBP | 0.72 | ![]() |
GWE![]() | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DMJ | 0.75 | ![]() |
GWE![]() | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DLG | 0.75 | ![]() |
GWE![]() | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DM2 | 0.75 | ![]() |
3FT![]() | A | 2BXV | 0.71 | ![]() | |
A83![]() | TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)- 1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | A | 1ZPA | 0.71 | ![]() |
DY6![]() | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.72 | ![]() |
R36![]() | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.75 | ![]() |
GFA![]() | 2-[4-chloro-2-(phenylcarbonyl)phenoxy]- N-phenylacetamide | A | 3DLE | 0.73 | ![]() |
GNQ![]() | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HHN | 0.71 | ![]() |
GNQ![]() | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HH5 | 0.71 | ![]() |
L1R![]() | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.71 | ![]() |
ILC![]() | A | 2FPV | 0.72 | ![]() | |
410![]() | 4-bromo-3-(carboxymethoxy)-5-{3- [cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene- 2-carboxylic acid | A | 2ZN7 | 0.7 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.73 | ![]() |
35B![]() | 4-bromo-3-(carboxymethoxy)-5-{3- [cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene- 2-carboxylic acid | A | 2ZMM | 0.71 | ![]() |
ZY3![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 6-(ETHYLAMINO)-1-METHYL-1,3,4,5- TETRAHYDRO-2,1-BENZOTHIAZEPINE- 8-CARBOXAMIDE 2,2-DIOXIDE | A | 2WF3 | 0.76 | ![]() |
MUV![]() | N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2- FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}- N'-METHYLSUCCINAMIDE | A,B | 2PSV | 0.72 | ![]() |
ZY2![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 8-ethyl-1-methyl-3,4-dihydro-1H,8H- [1,2,5]thiadiazepino[5,4,3-de]quinoxaline- 10-carboxamide 2,2-dioxide | A | 2WF2 | 0.71 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.71 | ![]() |
VG2![]() | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.72 | ![]() |
6CA![]() | A | 2FLM | 0.7 | ![]() | |
PI9![]() | A,B | 1D4L | 0.76 | ![]() | |
RYU![]() | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN- 1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO- 2,3'-BIINDOL-2'(1'H)-ONE | A | 2BHH | 0.72 | ![]() |
U04![]() | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 1JUS | 0.7 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.7 | ![]() |
RHQ![]() | RHODAMINE 6G | A,D,E | 3BR6 | 0.7 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B | 3D6Z | 0.7 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1OY8 | 0.7 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1T9V | 0.7 | ![]() |
CP8![]() | A | 1UTT | 0.7 | ![]() | |
331![]() | (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]- 1-HEPTYLUREIDO)ETHYL]PHENOXY)-2- METHYLBUTYRIC ACID | A,B | 1Y0S | 0.7 | ![]() |
194![]() | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.71 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.79 | ![]() |
R37![]() | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.73 | ![]() |
371![]() | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1- DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY- 6-METHYL-4H-CHROMEN-4-ONE | A | 2DUV | 0.73 | ![]() |
MUI![]() | (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)- 1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL]- 2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE | A,B | 2I0A | 0.84 | ![]() |
WAY![]() | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FLS | 0.7 | ![]() |
WAY![]() | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FM1 | 0.7 | ![]() |
MSI![]() | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE- 1-SULFONYL)-1H-INDOLE-2,3-DIONE | A | 1GFW | 0.81 | ![]() |
D27![]() | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.75 | ![]() |
189![]() | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)- N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN- 3-YL)METHYL]ACETAMIDE | A,B | 1XL2 | 0.74 | ![]() |
RXB![]() | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.71 | ![]() |
44C![]() | A | 2FBR | 0.7 | ![]() | |
FL1![]() | 5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}- 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)BENZOIC ACID | A | 2F14 | 0.71 | ![]() |
BSD![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 5-[methyl(methylsulfonyl)amino]- N'-[(1R)-1-phenylethyl]benzene- 1,3-dicarboxamide | A,B,C,D | 2VKM | 0.75 | ![]() |
R6G![]() | RHODAMINE 6G | B | 2V3L | 0.7 | ![]() |
R2C![]() | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.71 | ![]() |
D56![]() | 4-(2-aminoethoxy)-N-(3-chloro-2- ethoxy-5-piperidin-1-ylphenyl)- 3,5-dimethylbenzamide | A | 2VIW | 0.71 | ![]() |
FMX![]() | FAMOXADONE | C,D,E | 1L0L | 0.72 | ![]() |
757![]() | A,B,C | 3DM6 | 0.71 | ![]() | |
RQ3![]() | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.75 | ![]() |
4BU![]() | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.7 | ![]() |
DRF![]() | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.73 | ![]() |